>compound Inosine-5'-diphosphate_Inosine-5'-diphosphate
#instrument UPLC Q-Tof Premier, Waters
>formula C10H14N4O11P2
#smiles O=C(N3)c(n2)c(N=C3)n(c2)[C@H](O1)[C@H](O)[C@H](O)[C@@H](COP(O)(=O)OP(O)(O)=O)1
#RECORD LC-ESI-QTOF_train_data/PR100572.txt
>charge -1
>ionization [M-H]-
>parentmass 427.00563

>collision 5-60
78.9602 76.03
92.0267 5.061
96.9711 5.173
135.032 69.79
158.9256 67.59
272.9583 7.739
329.029 23.88
369.0252 5.741
408.9914 9.839
427.0056 76.86

